[(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylpentadecanoate

Systemtic Name: [(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylpentadecanoate Openeye Name: [(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylpentadecanoate CAS Name: 10-methylpentadecanoic acid [(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] ester IUPAC Name: [(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylpentadecanoate Traditional Name: 10-methylpentadecanoic acid [(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] ester Formula: C49H88O12 MolecularWeight: 869.21582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCCCCCCCCOCC(COC1C(C(C(C1OC(=O)CCCCCCCCC(C)CCCCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC(C)CCCCCCCCCOC[C@@H](CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H]1OC(=O)CCCCCCCCC(C)CCCCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C49H88O12/c1-9-11-13-24-30-38(4)32-25-19-15-14-18-22-28-34-55-35-43(57-39(5)50)36-56-45-46(58-40(6)51)48(59-41(7)52)49(60-42(8)53)47(45)61-44(54)33-27-21-17-16-20-26-31-37(3)29-23-12-10-2/h37-38,43,45-49H,9-36H2,1-8H3/t37?,38?,43-,45+,46+,47+,48-,49-/m0/s1